CAS 773874-00-3

Methyl 2-chloro-6-fluoro-3-methylbenzoate

Description:

Methyl 2-chloro-6-fluoro-3-methylbenzoate, with the CAS number 773874-00-3, is an organic compound belonging to the class of benzoate esters. It features a benzoic acid derivative where a methyl group, a chlorine atom, and a fluorine atom are substituted on the aromatic ring. This compound is characterized by its relatively low molecular weight and specific functional groups that contribute to its chemical reactivity and potential applications. The presence of the chlorine and fluorine substituents can enhance its lipophilicity and influence its biological activity, making it of interest in pharmaceutical and agrochemical research. Methyl 2-chloro-6-fluoro-3-methylbenzoate is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is important to handle this compound with care, as halogenated compounds can exhibit toxicity and environmental persistence. Its synthesis often involves electrophilic aromatic substitution reactions, and it may serve as an intermediate in the synthesis of more complex organic molecules.

Formula: C₉H₈ClFO₂

InChI: InChI=1S/C9H8ClFO2/c1-5-3-4-6(11)7(8(5)10)9(12)13-2/h3-4H,1-2H3

InChI key: InChIKey=OSBXYKHRJRIDQM-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(Cl)C(C)=CC=C1F

Synonyms:

• Methyl 2-chloro-6-fluoro-3-methylbenzoate
• Benzoic acid, 2-chloro-6-fluoro-3-methyl-, methyl ester
• 2-Chloro-6-fluoro-3-methyl-benzoic acid methyl ester